TL;DR: 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- (CAS 167500-04-1) is a chemical compound with molecular formula C20H17I and molecular weight 384.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-iodo-1,3-bis(4-methylphenyl)benzene
Also Known As: 2-iodo-1,3-bis(4-methylphenyl)benzene, RCL L253170, 4,4''-dimethyl-2'-iodo-m-terphenyl, 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-, 2~2~-Iodo-1~4~,3~4~-dimethyl-1~1~,2~1~:2~3~,3~1~-terphenyl
| Molecular Formula | C20H17I |
| Molecular Weight | 384.0375 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.0375 Da |
| Heavy Atoms | 21 |
| Complexity | 280.0 |
| SMILES | CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)I |
| InChIKey | WJZVPEGNZWPGJE-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- is 167500-04-1.
The molecular formula of 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- is C20H17I.
The molecular weight of 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- is 384.0375 g/mol.
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